Biological Magnetic Resonance Data Bank

A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
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Maleic Acid

Maleic_acid synonyms

cis-Butenedioic acid; Maleate; Maleic acid


Graphical representations:


View large 3D structure

Molecular Formula: C4H4O4

Natural Isotopic Abundance Mass: 116.0721600000

Mono-Isotopic Molecular Masses:

  • C12N14: 116.010958617
  • C13N14: 120.024377968
  • C12N15: 116.010958617
  • C13N15: 120.024377968

InChI string: InChI=1S/C4H4O4/c5-3(6)1-2-4(7)8/h1-2H,(H,5,6)(H,7,8)/b2-1-

IUPAC: but-2-enedioic acid

PubChem Compound (CID): 444266
KEGG Compound ID: C01384
CAS Registry number: 110-16-7
ChEBI: 18300
PDB Compound ID: MAE

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.

InChI string and atom numbering calculated using ALATIS (Hesam Dashti, William M. Westler, John L. Markley, Hamid R. Eghbalnia, "Unique identifiers for small molecules enable rigorous labeling of their atoms", Scientific Data 4, Article number: 170073 (2017), doi:10.1038/sdata.2017.73,